Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/physrevb.42.9119 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Promoting Charge-Carriers Dynamics by Relaxed Lattice Strain in A-site-Doped Halide Perovskite for Photocatalytic H Evolution.
Angew Chem Int Ed Engl
October 2024
Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, P.R. China.
Because of the unique and superior optoelectronic properties, metal halide perovskites (MHPs) have attracted great interest in photocatalysis. Element doping strategy is adopted to modify perovskite materials to improve their photocatalytic performance. However, the contribution of bare doping-site onto photocatalytic efficiency, and the correlation between doping locations and activity have not yet to be demonstrated.
View Article and Find Full Text PDFSelf-Assembled Two-Dimensional Nanoporous Crystals as Molecular Sieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene-C Superstructures.
J Chem Inf Model
April 2020
Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, United States.
Due to their unique geometry complex, self-assembled nanoporous 2D molecular crystals offer a broad landscape of potential applications, ranging from adsorption and catalysis to optoelectronics, substrate processes, and future nanomachine applications. Here we report and discuss the results of extensive all-atom Molecular Dynamics (MD) investigations of self-assembled organic monolayers (SAOM) of interdigitated 1,3,5-tristyrilbenzene (TSB) molecules terminated by alkoxy peripheral chains C containing carbon atoms (TSB3,5-C) deposited onto highly ordered pyrolytic graphite (HOPG). structural and electronic properties of the TSB3,5-C molecules were initially determined using second order Møller-Plesset (MP2) calculations.
View Article and Find Full Text PDFTheoretical and experimental studies of substitution of cadmium into hydroxyapatite.
Phys Chem Chem Phys
December 2010
Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro, RJ, Brazil.
Substitution of cadmium into bulk hydroxyapatite Ca((10-x))Cd(x)(PO(4))(6)(OH)(2) (CdHA: x = 0.12, 1.3, 2.
View Article and Find Full Text PDFRelaxed-lattice model of isolated and paired isoelectronic traps in GaP.
Phys Rev B Condens Matter
November 1990
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!